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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[5-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-(2-naphthyl)ethyl]thio]-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-4-11-31-25(16-26(33)28-23-13-18(2)12-19(3)14-23)29-30-27(31)34-17-24(32)22-10-9-20-7-5-6-8-21(20)15-22/h4-10,12-15H,1,11,16-17H2,2-3H3,(H,28,33)