4-[3-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C23H23N7O2S MolecularWeight: 461.53942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C23H23N7O2S/c1-17-20(27-30(26-17)18-9-3-2-4-10-18)23(32)29-15-8-14-28(29)22(31)19-11-7-13-25-21(19)33-16-6-5-12-24/h2-4,7,9-11,13H,5-6,8,14-16H2,1H3