(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium

Systemtic Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzhydryl-[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H26N4S/c1-3-25-21(19-14-15-19)23-26(22(25)27)16-24(2)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,3,14-16H2,1-2H3/p+1