4-(1H-1,2,4-triazol-5-ylsulfanyl)benzenecarbonitrile

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)benzenecarbonitrile Openeye Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)benzonitrile CAS Name: 4-(1H-1,2,4-triazol-5-ylthio)benzonitrile IUPAC Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)benzonitrile Traditional Name: 4-(1H-1,2,4-triazol-5-ylthio)benzonitrile Formula: C9H6N4S MolecularWeight: 202.23574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)SC2=NC=NN2

InChI

InChI=1S/C9H6N4S/c10-5-7-1-3-8(4-2-7)14-9-11-6-12-13-9/h1-4,6H,(H,11,12,13)