2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(isoamylcarbamoyl)acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N5O3S/c1-5-12-25-18(15-6-8-16(28-4)9-7-15)23-24-20(25)29-13-17(26)22-19(27)21-11-10-14(2)3/h5-9,14H,1,10-13H2,2-4H3,(H2,21,22,26,27)