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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)CN(CCC#N)CCC#N

Isomeric SMILES

C=CCN1C=NN(C1=S)CN(CCC#N)CCC#N

InChI

InChI=1S/C12H16N6S/c1-2-7-17-10-15-18(12(17)19)11-16(8-3-5-13)9-4-6-14/h2,10H,1,3-4,7-9,11H2