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

Systemtic Name: 2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: N-benzyl-2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine CAS Name: 2-ethylsulfonyl-5-(4-methoxyphenyl)-N-(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine Traditional Name: benzyl-[2-esyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]amine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S/c1-3-26(23,24)22-18(19-13-14-7-5-4-6-8-14)20-17(21-22)15-9-11-16(25-2)12-10-15/h4-12H,3,13H2,1-2H3,(H,19,20,21)