5-(2-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione Formula: C24H32N5OS+ MolecularWeight: 438.60878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5OS/c1-26-14-8-15-27(18-17-26)19-29-24(31)28(16-13-20-9-4-3-5-10-20)23(25-29)21-11-6-7-12-22(21)30-2/h3-7,9-12H,8,13-19H2,1-2H3/p+1