4-[phenylsulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[phenylsulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[phenylsulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 4-[(phenylthio)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 4-[phenylsulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 4-[(phenylthio)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(C2=CC=C(C=C2)C#N)C3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)SC(C2=CC=C(C=C2)C#N)C3=NC=NN3

InChI

InChI=1S/C16H12N4S/c17-10-12-6-8-13(9-7-12)15(16-18-11-19-20-16)21-14-4-2-1-3-5-14/h1-9,11,15H,(H,18,19,20)