N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitrobenzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitro-benzamide Formula: C17H13N5O3S3 MolecularWeight: 431.51182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H13N5O3S3/c1-8-9(2)26-16(12(8)7-18)19-15(23)11-4-5-14(13(6-11)22(24)25)28-17-21-20-10(3)27-17/h4-6H,1-3H3,(H,19,23)