2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=CS3

InChI

InChI=1S/C17H16N6O4S2/c1-10(29-17-21-20-14(22(17)2)13-4-3-9-28-13)15(24)19-16(25)18-11-5-7-12(8-6-11)23(26)27/h3-10H,1-2H3,(H2,18,19,24,25)