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

Systemtic Name: N-(4-ethylphenyl)-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-(4-ethylphenyl)acetamide CAS Name: N-(4-ethylphenyl)-2-[[5-[2-(1-piperidinyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-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-(4-ethylphenyl)acetamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCN3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCN3CCCCC3

InChI

InChI=1S/C22H31N5OS/c1-3-13-27-20(12-16-26-14-6-5-7-15-26)24-25-22(27)29-17-21(28)23-19-10-8-18(4-2)9-11-19/h3,8-11H,1,4-7,12-17H2,2H3,(H,23,28)