4-chloranyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-chloro-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C17H13ClN4O3S2 MolecularWeight: 420.89312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S2/c1-10-2-4-11(5-3-10)9-26-17-21-20-16(27-17)19-15(23)12-6-7-13(18)14(8-12)22(24)25/h2-8H,9H2,1H3,(H,19,20,23)