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

Systemtic Name: 5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-methyl-3-furyl)-2-[[4-(m-tolyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methylfuran-3-yl)-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-methyl-3-furyl)-2-[[4-(m-tolyl)piperazino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=C(OC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=C(OC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-19-7-6-10-22(17-19)28-14-12-27(13-15-28)18-29-25(32)30(21-8-4-3-5-9-21)24(26-29)23-11-16-31-20(23)2/h3-11,16-17H,12-15,18H2,1-2H3