N-(2,4-dimethylphenyl)-2-[5-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[5-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(2-ethoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[5-[[2-(2-ethoxyanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-(o-phenetidino)ethyl]thio]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C25H29N5O3S/c1-5-13-30-22(15-23(31)26-19-12-11-17(3)14-18(19)4)28-29-25(30)34-16-24(32)27-20-9-7-8-10-21(20)33-6-2/h5,7-12,14H,1,6,13,15-16H2,2-4H3,(H,26,31)(H,27,32)