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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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