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

Systemtic Name: bis(2-cyanoethyl)-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: bis(2-cyanoethyl)-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: bis(2-cyanoethyl)-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: bis(2-cyanoethyl)-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C19H19N6S2+ MolecularWeight: 395.52436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+](CCC#N)CCC#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+](CCC#N)CCC#N)C3=CC=CS3

InChI

InChI=1S/C19H18N6S2/c20-10-5-12-23(13-6-11-21)15-24-19(26)25(16-7-2-1-3-8-16)18(22-24)17-9-4-14-27-17/h1-4,7-9,14H,5-6,12-13,15H2/p+1