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

Systemtic Name: 3-[2-cyanoethyl-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propionitrile Formula: C12H16N6S MolecularWeight: 276.36064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=S)CN(CCC#N)CCC#N

Isomeric SMILES

C1CC1N2C=NN(C2=S)CN(CCC#N)CCC#N

InChI

InChI=1S/C12H16N6S/c13-5-1-7-16(8-2-6-14)10-18-12(19)17(9-15-18)11-3-4-11/h9,11H,1-4,7-8,10H2