2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)N

InChI

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