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

Systemtic Name: 3-[2-cyanoethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(2-cyanoethyl)amino]propionitrile Formula: C13H18N6S MolecularWeight: 290.38722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN(CCC#N)CCC#N

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN(CCC#N)CCC#N

InChI

InChI=1S/C13H18N6S/c1-3-8-18-12(2)16-19(13(18)20)11-17(9-4-6-14)10-5-7-15/h3H,1,4-5,8-11H2,2H3