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

Systemtic Name: 3-[2-cyanoethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propionitrile Formula: C16H18N6S MolecularWeight: 326.41932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN(CCC#N)CCC#N

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN(CCC#N)CCC#N

InChI

InChI=1S/C16H18N6S/c1-14-19-21(13-20(11-5-9-17)12-6-10-18)16(23)22(14)15-7-3-2-4-8-15/h2-4,7-8H,5-6,11-13H2,1H3