4-[(Z)-[3-[(4-chloranylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(Z)-[3-[(4-chloranylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(Z)-[3-[(4-chlorophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(Z)-[3-[(4-chlorophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(Z)-[3-[(4-chlorophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(Z)-[3-[(4-chlorophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C17H15ClN6OS MolecularWeight: 386.8586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NN2C(=NNC2=S)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N\N2C(=NNC2=S)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN6OS/c1-11-12(7-14(8-19)23(11)2)9-20-24-16(21-22-17(24)26)10-25-15-5-3-13(18)4-6-15/h3-7,9H,10H2,1-2H3,(H,22,26)/b20-9-