(Z)-3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]prop-2-enenitrile

Systemtic Name: (Z)-3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]prop-2-enenitrile Openeye Name: (Z)-3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-3-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]prop-2-enenitrile CAS Name: (Z)-3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethylamino]-3-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-2-propenenitrile IUPAC Name: (Z)-3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-3-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]prop-2-enenitrile Traditional Name: (Z)-3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethylamino]-3-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]acrylonitrile Formula: C16H20ClN7S3 MolecularWeight: 442.0249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=CC#N)NCCSCC2=NN=C(S2)N)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/C#N)/NCCSCC2=NN=C(S2)N)Cl

InChI

InChI=1S/C16H20ClN7S3/c17-12-2-1-5-20-13(12)10-25-8-6-21-14(3-4-18)22-7-9-26-11-15-23-24-16(19)27-15/h1-3,5,21-22H,6-11H2,(H2,19,24)/b14-3-