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

Systemtic Name: 2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H15N5S/c1-12-6-2-5-9-15(12)16-20-21-17(22(16)19)23-11-14-8-4-3-7-13(14)10-18/h2-9H,11,19H2,1H3