3-phenethylsulfanyl-N-phenyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-phenethylsulfanyl-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-phenethylsulfanyl-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-(phenethylthio)-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-phenethylsulfanyl-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-(phenethylthio)-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NNC(=N2)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NNC(=N2)NC3=CC=CC=C3

InChI

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