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

Systemtic Name: ethyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium CAS Name: ethyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-benzyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-ethylazanium Traditional Name: benzyl-[(3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4S/c1-3-23(15-18-12-8-5-9-13-18)16-24-20(25)22(2)19(21-24)14-17-10-6-4-7-11-17/h4-13H,3,14-16H2,1-2H3/p+1