4-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]thio]benzamide Formula: C16H13N5O4S2 MolecularWeight: 403.43552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S2/c1-25-11-5-3-10(4-6-11)18-15-19-20-16(27-15)26-13-7-2-9(14(17)22)8-12(13)21(23)24/h2-8H,1H3,(H2,17,22)(H,18,19)