4-methylsulfanyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-methylsulfanyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-[4-(5-methyl-2-thienyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(methylthio)-N-[4-(5-methyl-2-thiophenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-methylsulfanyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(5-methyl-2-thienyl)thiazol-2-yl]-4-(methylthio)-3-nitro-benzamide Formula: C16H13N3O3S3 MolecularWeight: 391.48772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S3/c1-9-3-5-13(25-9)11-8-24-16(17-11)18-15(20)10-4-6-14(23-2)12(7-10)19(21)22/h3-8H,1-2H3,(H,17,18,20)