(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)-2-phenyl-acetamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C25H23N5O2S/c1-3-17-30-23(19-13-15-26-16-14-19)28-29-25(30)33-22(18-7-5-4-6-8-18)24(31)27-20-9-11-21(32-2)12-10-20/h3-16,22H,1,17H2,2H3,(H,27,31)/t22-/m1/s1