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

Systemtic Name: [5-[(2-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[(2-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-[(2-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[(2-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-methyl-5-(o-anisylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=CC=CC=C3OC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=CC=CC=C3OC)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C21H28N4O2S/c1-24-18-8-7-16(22-14-15-5-3-4-6-19(15)27-2)13-17(18)20(23-24)21(26)25-9-11-28-12-10-25/h3-6,16,22H,7-14H2,1-2H3