5-(2-methylfuran-3-yl)-2-[(4-methylpiperidin-1-yl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methylfuran-3-yl)-2-[(4-methylpiperidin-1-yl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-methyl-3-furyl)-2-[(4-methyl-1-piperidyl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-2-[(4-methyl-1-piperidinyl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(2-methylfuran-3-yl)-2-[(4-methylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-methyl-3-furyl)-2-[(4-methylpiperidino)methyl]-1,2,4-triazole-3-thione Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(OC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(OC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS/c1-16-8-11-23(12-9-16)15-25-21(27)24(14-18-6-4-3-5-7-18)20(22-25)19-10-13-26-17(19)2/h3-7,10,13,16H,8-9,11-12,14-15H2,1-2H3