2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azepanylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCCC4

InChI

InChI=1S/C22H26N4OS/c1-27-20-13-11-18(12-14-20)21-23-25(17-24-15-7-2-3-8-16-24)22(28)26(21)19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3