1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)N2CCCC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)N2CCCC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-3-14-27-20(18-10-12-23-13-11-18)24-25-22(27)29-16(2)21(28)26-15-6-8-17-7-4-5-9-19(17)26/h4-5,7,9-13,16H,3,6,8,14-15H2,1-2H3