2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: 2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine Openeye Name: 2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(2-thienylmethyl)-1,2,4-triazol-3-amine CAS Name: 2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine IUPAC Name: 2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine Traditional Name: [2-esyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-(2-thenyl)amine Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CS3

InChI

InChI=1S/C16H18N4O3S2/c1-3-25(21,22)20-16(17-11-14-5-4-10-24-14)18-15(19-20)12-6-8-13(23-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,17,18,19)