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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[5-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[5-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-(2-naphthylamino)ethyl]thio]-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C27H27N5O2S/c1-4-13-32-24(16-25(33)28-22-11-9-18(2)19(3)14-22)30-31-27(32)35-17-26(34)29-23-12-10-20-7-5-6-8-21(20)15-23/h4-12,14-15H,1,13,16-17H2,2-3H3,(H,28,33)(H,29,34)