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

Systemtic Name: (E)-3-azanyl-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1C)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1C)C2=CC=CC=C2)/N

InChI

InChI=1S/C15H15N5OS/c1-10(17)12(8-16)13(21)9-22-15-19-18-14(20(15)2)11-6-4-3-5-7-11/h3-7H,9,17H2,1-2H3/b12-10+