2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)CN4C(=S)N(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)CN4C(=S)N(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H21N5OS/c28-21-25(17-6-2-1-3-7-17)14-22-26(21)15-24-12-10-16(11-13-24)20-23-18-8-4-5-9-19(18)27-20/h1-9,14,16H,10-13,15H2