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

Systemtic Name: (E)-3-azanyl-2-[2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C15H15N5OS2 MolecularWeight: 345.4425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C15H15N5OS2/c1-9-3-5-11(6-4-9)18-14-19-20-15(23-14)22-8-13(21)12(7-16)10(2)17/h3-6H,8,17H2,1-2H3,(H,18,19)/b12-10+