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

Systemtic Name: 2-[[4-(2-azanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CCN)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CCN)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N5S/c19-10-11-23-17(14-6-2-1-3-7-14)21-22-18(23)24-13-16-9-5-4-8-15(16)12-20/h1-9H,10-11,13,19H2