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

Systemtic Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzhydryl-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+](C)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+](C)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-16-22-24(21(26)25(16)19-13-14-19)15-23(2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-15H2,1-2H3/p+1