3-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]propanenitrile

Systemtic Name: 3-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]propanenitrile Openeye Name: 3-[[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]propanenitrile CAS Name: 3-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]propanenitrile IUPAC Name: 3-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]propanenitrile Traditional Name: 3-[[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]propionitrile Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2NCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2NCCC#N

InChI

InChI=1S/C12H13N5OS/c1-18-10-5-3-9(4-6-10)11-15-16-12(19)17(11)14-8-2-7-13/h3-6,14H,2,8H2,1H3,(H,16,19)