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

Systemtic Name: 5-(2-methylfuran-3-yl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(2-methyl-3-furyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methylfuran-3-yl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(2-methyl-3-furyl)-2-[[4-(4-nitrophenyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3S/c1-3-9-25-20(19-8-14-30-16(19)2)22-26(21(25)31)15-23-10-12-24(13-11-23)17-4-6-18(7-5-17)27(28)29/h3-8,14H,1,9-13,15H2,2H3