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

Systemtic Name: (2R)-N-(2-cyanophenyl)-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-(2-cyanophenyl)propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-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-(2-cyanophenyl)propionamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H18N6OS/c1-3-12-26-18(15-8-10-22-11-9-15)24-25-20(26)28-14(2)19(27)23-17-7-5-4-6-16(17)13-21/h3-11,14H,1,12H2,2H3,(H,23,27)/t14-/m1/s1