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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C17H13ClN4O3S2 MolecularWeight: 420.89312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4O3S2/c1-10(26-14-7-5-12(18)6-8-14)15(23)19-17-21-20-16(27-17)11-3-2-4-13(9-11)22(24)25/h2-10H,1H3,(H,19,21,23)