N-[(4-methylphenyl)methyl]-2-(phenylsulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(phenylsulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine Openeye Name: 2-(benzenesulfonyl)-N-(p-tolylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-amine CAS Name: 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine IUPAC Name: 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine Traditional Name: [2-besyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-(4-methylbenzyl)amine Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H18N4O2S2/c1-15-9-11-16(12-10-15)14-21-20-22-19(18-8-5-13-27-18)23-24(20)28(25,26)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,21,22,23)