4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-chloro-5-methoxy-benzyl)amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H19ClN4O2S/c1-12-21-22-18(26)23(12)20-10-14-8-15(19)17(16(9-14)24-2)25-11-13-6-4-3-5-7-13/h3-9,20H,10-11H2,1-2H3,(H,22,26)