3-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 3-(5-acetonylsulfanyl-4-methyl-1,2,4-triazol-3-yl)benzonitrile CAS Name: 3-[4-methyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 3-[4-methyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 3-[5-(acetonylthio)-4-methyl-1,2,4-triazol-3-yl]benzonitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS/c1-9(18)8-19-13-16-15-12(17(13)2)11-5-3-4-10(6-11)7-14/h3-6H,8H2,1-2H3