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

Systemtic Name: 4-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C16H12BrN5O3S2 MolecularWeight: 466.33218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O3S2/c17-11-2-1-3-12(7-11)19-15-20-21-16(27-15)26-8-10-5-4-9(14(18)23)6-13(10)22(24)25/h1-7H,8H2,(H2,18,23)(H,19,20)