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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(p-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=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3C#N

InChI

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