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

Systemtic Name: 3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Formula: C18H19N3S2 MolecularWeight: 341.49356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C18H19N3S2/c1-12-7-8-14-15(11-23-16(14)9-12)17-19-20-18(22)21(17)10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,22)