N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: 1-phenylethyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C16H16N4S/c1-12(13-5-3-2-4-6-13)19-14-7-9-15(10-8-14)21-16-17-11-18-20-16/h2-12,19H,1H3,(H,17,18,20)