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

Systemtic Name: N-phenethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-phenethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-phenethyl-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-phenethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: phenethyl-[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:

C1=CC=C(C=C1)CCNC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C16H16N4S/c1-2-4-13(5-3-1)10-11-17-14-6-8-15(9-7-14)21-16-18-12-19-20-16/h1-9,12,17H,10-11H2,(H,18,19,20)