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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(3-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-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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