3-[4-(3-methylbutyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(3-methylbutyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[4-isopentyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[4-(3-methylbutyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[4-(3-methylbutyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[4-isoamyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]propionitrile Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN(C1=S)CCC#N)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NN(C1=S)CCC#N)COC2=CC=CC=C2

InChI

InChI=1S/C17H22N4OS/c1-14(2)9-12-20-16(13-22-15-7-4-3-5-8-15)19-21(17(20)23)11-6-10-18/h3-5,7-8,14H,6,9,11-13H2,1-2H3