[1-ethyl-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-ethyl-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-ethyl-5-(o-tolylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [1-ethyl-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-ethyl-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-ethyl-5-[(2-methylbenzyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3=CC=CC=C3C)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3=CC=CC=C3C)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H30N4OS/c1-3-26-20-9-8-18(23-15-17-7-5-4-6-16(17)2)14-19(20)21(24-26)22(27)25-10-12-28-13-11-25/h4-7,18,23H,3,8-15H2,1-2H3