2-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]propanedinitrile

Systemtic Name: 2-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]propanedinitrile Openeye Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylene]propanedinitrile CAS Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethylamino]-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methylidene]propanedinitrile IUPAC Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]propanedinitrile Traditional Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethylamino]-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methylene]malononitrile Formula: C16H21N9S3 MolecularWeight: 435.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C(C#N)C#N)NCCSCC2=NN=C(S2)N

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=C(C#N)C#N)NCCSCC2=NN=C(S2)N

InChI

InChI=1S/C16H21N9S3/c1-11-13(23-10-22-11)8-26-4-2-20-15(12(6-17)7-18)21-3-5-27-9-14-24-25-16(19)28-14/h10,20-21H,2-5,8-9H2,1H3,(H2,19,25)(H,22,23)