ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4S/c1-3-21(14-17-10-6-4-7-11-17)15-22-19(24)23(16(2)20-22)18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3/p+1