3,4-bis(chloranyl)-N-[2-[5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[2-[5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[4-allyl-5-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[2-[5-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,4-dichloro-N-[2-[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[4-allyl-5-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide Formula: C25H27Cl2N5O2S MolecularWeight: 532.48518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C25H27Cl2N5O2S/c1-4-13-32-21(11-12-28-24(34)18-9-10-19(26)20(27)14-18)30-31-25(32)35-15-22(33)29-23-16(3)7-6-8-17(23)5-2/h4,6-10,14H,1,5,11-13,15H2,2-3H3,(H,28,34)(H,29,33)