2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCC#N

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCC#N

InChI

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