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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC(=O)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC(=O)C

InChI

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