3-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)propanenitrile

Systemtic Name: 3-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)propanenitrile Openeye Name: 3-(4-butyl-5-thioxo-1,2,4-triazolidin-1-yl)propanenitrile CAS Name: 3-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)propanenitrile IUPAC Name: 3-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)propanenitrile Traditional Name: 3-(4-butyl-5-thioxo-1,2,4-triazolidin-1-yl)propionitrile Formula: C9H16N4S MolecularWeight: 212.31514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CNN(C1=S)CCC#N

Isomeric SMILES

CCCCN1CNN(C1=S)CCC#N

InChI

InChI=1S/C9H16N4S/c1-2-3-6-12-8-11-13(9(12)14)7-4-5-10/h11H,2-4,6-8H2,1H3