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

Systemtic Name: 4-methyl-5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(2-methyl-3-furyl)-2-[[4-(m-tolyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(2-methyl-3-furanyl)-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(2-methyl-3-furyl)-2-[[4-(m-tolyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C20H25N5OS MolecularWeight: 383.5104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=C(OC=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=C(OC=C4)C)C

InChI

InChI=1S/C20H25N5OS/c1-15-5-4-6-17(13-15)24-10-8-23(9-11-24)14-25-20(27)22(3)19(21-25)18-7-12-26-16(18)2/h4-7,12-13H,8-11,14H2,1-3H3