(3-cyanophenyl)methyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (3-cyanophenyl)methyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (3-cyanophenyl)methyl-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (3-cyanophenyl)methyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (3-cyanophenyl)methyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (3-cyanobenzyl)-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C14H18N5S+ MolecularWeight: 288.39122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H17N5S/c1-11-16-19(14(20)18(11)3)10-17(2)9-13-6-4-5-12(7-13)8-15/h4-7H,9-10H2,1-3H3/p+1