4-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]aniline

Systemtic Name: 4-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]aniline Openeye Name: 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline CAS Name: 4-[[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]aniline IUPAC Name: 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline Traditional Name: [4-[[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C16H16N4S/c17-14-8-6-13(7-9-14)11-21-16-18-15(19-20-16)10-12-4-2-1-3-5-12/h1-9H,10-11,17H2,(H,18,19,20)