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

Systemtic Name: bis(2-cyanoethyl)-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: bis(2-cyanoethyl)-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: bis(2-cyanoethyl)-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: bis(2-cyanoethyl)-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C16H19N6S+ MolecularWeight: 327.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](CCC#N)CCC#N

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](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/p+1