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

Systemtic Name: 2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[2-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[[5-[2-(1-piperidinyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(2-piperidinoethyl)-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-acetamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCN3CCCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCN3CCCCC3

InChI

InChI=1S/C23H33N5OS/c1-4-13-28-21(12-16-27-14-8-5-9-15-27)25-26-23(28)30-17-22(29)24-20-11-7-6-10-19(20)18(2)3/h4,6-7,10-11,18H,1,5,8-9,12-17H2,2-3H3,(H,24,29)