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

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

CN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC4

InChI

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