4-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O3S2/c1-3-12-6-4-5-11(2)16(12)21-18-22-23-19(29-18)28-10-14-8-7-13(17(20)25)9-15(14)24(26)27/h4-9H,3,10H2,1-2H3,(H2,20,25)(H,21,22)