2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-5-cyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(1,3-benzoxazol-2-yl)piperidino]methyl]-5-cyclopropyl-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCC(CC2)C3=NC4=CC=CC=C4O3)C5CC5

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCC(CC2)C3=NC4=CC=CC=C4O3)C5CC5

InChI

InChI=1S/C21H25N5OS/c1-2-11-25-19(15-7-8-15)23-26(21(25)28)14-24-12-9-16(10-13-24)20-22-17-5-3-4-6-18(17)27-20/h2-6,15-16H,1,7-14H2