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

Systemtic Name: 3-phenyl-4-[(E)-(4-prop-2-ynoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-phenyl-4-[(E)-(4-prop-2-ynoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-phenyl-4-[(E)-(4-prop-2-ynoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-phenyl-4-[(E)-(4-prop-2-ynoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-phenyl-4-[(E)-(4-propargyloxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H14N4OS MolecularWeight: 334.39496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4OS/c1-2-12-23-16-10-8-14(9-11-16)13-19-22-17(20-21-18(22)24)15-6-4-3-5-7-15/h1,3-11,13H,12H2,(H,21,24)/b19-13+