[3-(phenylsulfanylmethyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone

Systemtic Name: [3-(phenylsulfanylmethyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone Openeye Name: [3-(phenylsulfanylmethyl)-3,4-dihydropyrazol-2-yl]-(3-pyridyl)methanone CAS Name: [3-[(phenylthio)methyl]-3,4-dihydropyrazol-2-yl]-(3-pyridinyl)methanone IUPAC Name: [3-(phenylsulfanylmethyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone Traditional Name: [5-[(phenylthio)methyl]-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C1CSC2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1C=NN(C1CSC2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H15N3OS/c20-16(13-5-4-9-17-11-13)19-14(8-10-18-19)12-21-15-6-2-1-3-7-15/h1-7,9-11,14H,8,12H2