2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-4-11-26-20(16-7-5-9-18(12-16)28-15(2)3)24-25-21(26)29-14-19(27)23-17-8-6-10-22-13-17/h4-10,12-13,15H,1,11,14H2,2-3H3,(H,23,27)