4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isobutyl-5-morpholino-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methylpropyl)-5-(4-morpholinyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isobutyl-5-morpholino-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C21H32N6OS MolecularWeight: 416.58338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H32N6OS/c1-18(2)16-26-20(25-12-14-28-15-13-25)22-27(21(26)29)17-23-8-10-24(11-9-23)19-6-4-3-5-7-19/h3-7,18H,8-17H2,1-2H3