4-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(5-bromo-2-propargyloxy-benzylidene)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C=NN2C(=NNC2=S)C3=CC=CC=C3

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)/C=N/N2C(=NNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C18H13BrN4OS/c1-2-10-24-16-9-8-15(19)11-14(16)12-20-23-17(21-22-18(23)25)13-6-4-3-5-7-13/h1,3-9,11-12H,10H2,(H,22,25)/b20-12+