2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)N

InChI

InChI=1S/C16H13N5S/c17-10-12-6-4-5-7-13(12)11-22-16-20-19-15(18)21(16)14-8-2-1-3-9-14/h1-9H,11H2,(H2,18,19)