3-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC#N

InChI

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