4-butyl-3-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-[(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-[(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-1H-1,2,4-triazole-5-thione Formula: C18H27N3S2 MolecularWeight: 349.55708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CSC3=C2CC[C@@H](C3)C(C)(C)C

InChI

InChI=1S/C18H27N3S2/c1-5-6-9-21-16(19-20-17(21)22)14-11-23-15-10-12(18(2,3)4)7-8-13(14)15/h11-12H,5-10H2,1-4H3,(H,20,22)/t12-/m0/s1