N-(4-methyl-2-nitro-phenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C22H19N5O3S2 MolecularWeight: 465.54796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S2/c1-15-9-10-17(18(12-15)27(29)30)23-20(28)14-32-22-25-24-21(19-8-5-11-31-19)26(22)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,23,28)