2-[[5-(3,5-dimethylphenyl)sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyridine

Systemtic Name: 2-[[5-(3,5-dimethylphenyl)sulfanyl-3-methyl-1-propan-2-yl-pyrazol-4-yl]methyl]pyridine Openeye Name: 2-[[5-(3,5-dimethylphenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine CAS Name: 2-[[5-[(3,5-dimethylphenyl)thio]-3-methyl-1-propan-2-yl-4-pyrazolyl]methyl]pyridine IUPAC Name: 2-[[5-(3,5-dimethylphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine Traditional Name: 2-[[5-[(3,5-dimethylphenyl)thio]-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=NN2C(C)C)C)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=NN2C(C)C)C)CC3=CC=CC=N3)C

InChI

InChI=1S/C21H25N3S/c1-14(2)24-21(25-19-11-15(3)10-16(4)12-19)20(17(5)23-24)13-18-8-6-7-9-22-18/h6-12,14H,13H2,1-5H3