3-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(3-chloro-4-isopropoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(3-chloro-4-isopropoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-13(2)24-17-9-8-15(10-16(17)20)11-18-21-22-19(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)