4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzenecarbonitrile Openeye Name: 4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile CAS Name: 4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile IUPAC Name: 4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile Traditional Name: 4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H11N5S/c1-2-11-15-16-12(18)17(11)14-8-10-5-3-9(7-13)4-6-10/h3-6,8H,2H2,1H3,(H,16,18)/b14-8+