3-azanyl-2-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: 3-azanyl-2-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: 3-amino-2-[2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: 3-amino-2-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: 3-amino-2-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: 3-amino-2-[2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C(=C(C)N)C#N

InChI

InChI=1S/C16H17N5OS/c1-10-5-4-6-12(7-10)15-19-20-16(21(15)3)23-9-14(22)13(8-17)11(2)18/h4-7H,9,18H2,1-3H3