2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-5-piperidinosulfonyl-pyridine Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H23N5O2S2/c27-30(28,25-13-5-2-6-14-25)18-11-12-19(22-15-18)29-21-23-20(16-9-10-16)26(24-21)17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2