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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]benzamide Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S2/c1-26-12-5-2-10(3-6-12)9-19-16-20-21-17(28-16)27-14-7-4-11(15(18)23)8-13(14)22(24)25/h2-8H,9H2,1H3,(H2,18,23)(H,19,20)