4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-bromo-5-ethoxy-4-methoxy-benzyl)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C18H19BrN4O2S/c1-3-25-15-10-12(9-14(19)16(15)24-2)11-20-23-17(21-22-18(23)26)13-7-5-4-6-8-13/h4-10,20H,3,11H2,1-2H3,(H,22,26)