3,4-bis(chloranyl)-N-[2-[5-[2-[(2,6-dimethylphenyl)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-[(2,6-dimethylphenyl)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-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[2-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,4-dichloro-N-[2-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[4-allyl-5-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide Formula: C24H25Cl2N5O2S MolecularWeight: 518.4586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H25Cl2N5O2S/c1-4-12-31-20(10-11-27-23(33)17-8-9-18(25)19(26)13-17)29-30-24(31)34-14-21(32)28-22-15(2)6-5-7-16(22)3/h4-9,13H,1,10-12,14H2,2-3H3,(H,27,33)(H,28,32)