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

Systemtic Name: 5-(4-methylphenyl)-2-methylsulfonyl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine Openeye Name: 2-methylsulfonyl-5-(p-tolyl)-N-(2-thienylmethyl)-1,2,4-triazol-3-amine CAS Name: 5-(4-methylphenyl)-2-methylsulfonyl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine IUPAC Name: 5-(4-methylphenyl)-2-methylsulfonyl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine Traditional Name: [2-mesyl-5-(p-tolyl)-1,2,4-triazol-3-yl]-(2-thenyl)amine Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S2/c1-11-5-7-12(8-6-11)14-17-15(19(18-14)23(2,20)21)16-10-13-4-3-9-22-13/h3-9H,10H2,1-2H3,(H,16,17,18)