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

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-(phenylsulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine Openeye Name: 2-(benzenesulfonyl)-N-[(3-nitrophenyl)methyl]-5-(2-thienyl)-1,2,4-triazol-3-amine CAS Name: 2-(benzenesulfonyl)-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine IUPAC Name: 2-(benzenesulfonyl)-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine Traditional Name: [2-besyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-(3-nitrobenzyl)amine Formula: C19H15N5O4S2 MolecularWeight: 441.4835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S2/c25-24(26)15-7-4-6-14(12-15)13-20-19-21-18(17-10-5-11-29-17)22-23(19)30(27,28)16-8-2-1-3-9-16/h1-12H,13H2,(H,20,21,22)