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

Systemtic Name: 4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Formula: C15H21N3S2 MolecularWeight: 307.47734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C

InChI

InChI=1S/C15H21N3S2/c1-3-4-7-18-14(16-17-15(18)19)12-9-20-13-8-10(2)5-6-11(12)13/h9-10H,3-8H2,1-2H3,(H,17,19)