(E)-3-azanyl-2-[2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C15H15N5O2S2 MolecularWeight: 361.4419

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(S1)NC2=CC=C(C=C2)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(S1)NC2=CC=C(C=C2)OC)/N

InChI

InChI=1S/C15H15N5O2S2/c1-9(17)12(7-16)13(21)8-23-15-20-19-14(24-15)18-10-3-5-11(22-2)6-4-10/h3-6H,8,17H2,1-2H3,(H,18,19)/b12-9+