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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H21N5O3S2/c1-16-14-18(28(30)31)9-10-19(16)24-21(29)11-13-33-23-26-25-22(20-8-5-12-32-20)27(23)15-17-6-3-2-4-7-17/h2-10,12,14H,11,13,15H2,1H3,(H,24,29)