1-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H25N5O3S/c1-3-10-25-19(15-6-4-5-7-16(15)28-2)22-23-20(25)29-13-17(26)24-11-8-14(9-12-24)18(21)27/h3-7,14H,1,8-13H2,2H3,(H2,21,27)