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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-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-(1-cyanocyclohexyl)-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-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-(1-cyanocyclohexyl)-N-methyl-propionamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H26N6OS/c1-4-14-27-18(17-8-12-23-13-9-17)24-25-20(27)29-16(2)19(28)26(3)21(15-22)10-6-5-7-11-21/h4,8-9,12-13,16H,1,5-7,10-11,14H2,2-3H3/t16-/m1/s1