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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide Formula: C25H23N7OS MolecularWeight: 469.56142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N7OS/c1-4-14-31-23(19-10-12-27-13-11-19)29-30-25(31)34-16-22(33)28-24-21(15-26)17(2)18(3)32(24)20-8-6-5-7-9-20/h4-13H,1,14,16H2,2-3H3,(H,28,33)