2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)propan-1-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H28N4O2S/c1-5-12-25-19(17-8-6-7-9-18(17)27-4)22-23-21(25)28-16(3)20(26)24-13-10-15(2)11-14-24/h5-9,15-16H,1,10-14H2,2-4H3