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

Systemtic Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C9H12N4OS MolecularWeight: 224.28278

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCC#N

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCC#N

InChI

InChI=1S/C9H12N4OS/c1-3-5-13-8(7-14-2)11-12-9(13)15-6-4-10/h3H,1,5-7H2,2H3