5-(4-methylphenyl)-2-(phenylsulfonyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

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