N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: 3-nitro-4-(p-tolylthio)-N-(2-thiazolin-2-yl)benzamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=NCCS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=NCCS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-11-2-5-13(6-3-11)25-15-7-4-12(10-14(15)20(22)23)16(21)19-17-18-8-9-24-17/h2-7,10H,8-9H2,1H3,(H,18,19,21)