N-(2-methylsulfanylphenyl)-2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[2-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[[5-[2-(1-piperidinyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-piperidinoethyl)-1,2,4-triazol-3-yl]thio]-N-[2-(methylthio)phenyl]acetamide Formula: C21H29N5OS2 MolecularWeight: 431.61786

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCN3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCN3CCCCC3

InChI

InChI=1S/C21H29N5OS2/c1-3-12-26-19(11-15-25-13-7-4-8-14-25)23-24-21(26)29-16-20(27)22-17-9-5-6-10-18(17)28-2/h3,5-6,9-10H,1,4,7-8,11-16H2,2H3,(H,22,27)