N-[5-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S2/c1-11-4-5-12(2)15(8-11)21-17(26)10-30-20-24-23-19(31-20)22-18(27)14-7-6-13(3)16(9-14)25(28)29/h4-9H,10H2,1-3H3,(H,21,26)(H,22,23,27)