2-[2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-propylacetamide IUPAC Name: 2-[[2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-propylacetamide Traditional Name: 2-[[2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-propyl-acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N5O3S/c1-5-11-21-17(26)13-24(3)18(27)14-29-20-23-22-19(25(20)12-6-2)15-7-9-16(28-4)10-8-15/h6-10H,2,5,11-14H2,1,3-4H3,(H,21,26)