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

Systemtic Name: bis(2-cyanoethyl)-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: bis(2-cyanoethyl)-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: bis(2-cyanoethyl)-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: bis(2-cyanoethyl)-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C21H21N6S+ MolecularWeight: 389.49664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+](CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C21H20N6S/c22-13-7-15-25(16-8-14-23)17-26-21(28)27(19-11-5-2-6-12-19)20(24-26)18-9-3-1-4-10-18/h1-6,9-12H,7-8,15-17H2/p+1