2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C13H13N5O4S3 MolecularWeight: 399.46842

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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(S2)SC

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(S2)SC

InChI

InChI=1S/C13H13N5O4S3/c1-7(24-13-17-16-12(23-2)25-13)10(19)15-11(20)14-8-3-5-9(6-4-8)18(21)22/h3-7H,1-2H3,(H2,14,15,19,20)