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

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-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-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-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-(3-cyano-2-thienyl)propionamide Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C18H16N6OS2/c1-3-9-24-15(13-4-7-20-8-5-13)22-23-18(24)27-12(2)16(25)21-17-14(11-19)6-10-26-17/h3-8,10,12H,1,9H2,2H3,(H,21,25)/t12-/m1/s1