3-(3,4-dimethylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(5-nosylthiazol-2-yl)propionamide Formula: C20H19N3O5S3 MolecularWeight: 477.57696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O5S3/c1-13-3-6-16(11-14(13)2)29-10-9-18(24)22-20-21-12-19(30-20)31(27,28)17-7-4-15(5-8-17)23(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,24)