(2R)-N-(cyclohexylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H26N6O2S/c1-3-13-26-17(15-9-11-21-12-10-15)24-25-20(26)29-14(2)18(27)23-19(28)22-16-7-5-4-6-8-16/h3,9-12,14,16H,1,4-8,13H2,2H3,(H2,22,23,27,28)/t14-/m1/s1