4-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-isobutyl-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-isobutyl-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Formula: C14H19N3S2 MolecularWeight: 293.45076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)C2=CSC3=C2CCCC3

Isomeric SMILES

CC(C)CN1C(=NNC1=S)C2=CSC3=C2CCCC3

InChI

InChI=1S/C14H19N3S2/c1-9(2)7-17-13(15-16-14(17)18)11-8-19-12-6-4-3-5-10(11)12/h8-9H,3-7H2,1-2H3,(H,16,18)