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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H17N5S/c1-2-23-17(13-7-9-16(20)10-8-13)21-22-18(23)24-12-15-6-4-3-5-14(15)11-19/h3-10H,2,12,20H2,1H3