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

Systemtic Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCCC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCCC#N

InChI

InChI=1S/C12H12N4OS/c1-17-11-5-2-4-10(8-11)16-9-14-15-12(16)18-7-3-6-13/h2,4-5,8-9H,3,7H2,1H3