3-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)-methyl-amino]propanenitrile CAS Name: 3-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-methylamino]propanenitrile IUPAC Name: 3-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-methylamino]propanenitrile Traditional Name: 3-[(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)-methyl-amino]propionitrile Formula: C10H17N5S MolecularWeight: 239.34048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=S)NN=C1N(C)CCC#N

Isomeric SMILES

CCCCN1C(=S)NN=C1N(C)CCC#N

InChI

InChI=1S/C10H17N5S/c1-3-4-8-15-9(12-13-10(15)16)14(2)7-5-6-11/h3-5,7-8H2,1-2H3,(H,13,16)