[1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-propyl-5-[2-(4-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-propyl-5-[2-(4-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)NCCC3=CC=NC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCCN1C2=C(CC(CC2)NCCC3=CC=NC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H31N5OS/c1-2-11-27-20-4-3-18(24-10-7-17-5-8-23-9-6-17)16-19(20)21(25-27)22(28)26-12-14-29-15-13-26/h5-6,8-9,18,24H,2-4,7,10-16H2,1H3