1-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (Z)-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methylene-(1,2,4-triazol-4-yl)amine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=NN3C=NN=C3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=N\N3C=NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6S/c1-2-12-28-20-10-8-17(9-11-20)21-18(13-24-26-15-22-23-16-26)14-27(25-21)19-6-4-3-5-7-19/h3-11,13-16H,2,12H2,1H3/b24-13-