1-(azocan-1-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C19H25N5OS/c25-17(23-12-4-2-1-3-5-13-23)14-26-19-22-21-18(24(19)16-6-7-16)15-8-10-20-11-9-15/h8-11,16H,1-7,12-14H2