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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[5-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[5-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H29N5O2S/c1-5-10-30-22(14-23(31)27-21-12-18(3)11-19(4)13-21)28-29-25(30)33-16-24(32)26-15-20-8-6-17(2)7-9-20/h5-9,11-13H,1,10,14-16H2,2-4H3,(H,26,32)(H,27,31)