N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N4O2S/c1-4-13-25-19(16-9-8-12-18(14-16)27-3)23-24-21(25)28-15(2)20(26)22-17-10-6-5-7-11-17/h4,8-9,12,14-15,17H,1,5-7,10-11,13H2,2-3H3,(H,22,26)