N-(4-methoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methoxyphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)amine Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4OS/c1-21-14-9-7-13(8-10-14)17-15-18-16(20-19-15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,20)