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

Systemtic Name: 4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[[5-(o-phenetidino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzamide Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S2/c1-2-27-15-6-4-3-5-13(15)20-17-21-22-18(29-17)28-10-12-8-7-11(16(19)24)9-14(12)23(25)26/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,21)