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

Systemtic Name: 3-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-1,2,4-triazole-5-thione Formula: C17H23N3S2 MolecularWeight: 333.51462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C17H23N3S2/c1-5-8-20-15(18-19-16(20)21)14-10-11-9-12(17(2,3)4)6-7-13(11)22-14/h5,10,12H,1,6-9H2,2-4H3,(H,19,21)