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

Systemtic Name: ethyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: ethyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4OS/c1-3-21(13-16-8-5-4-6-9-16)15-23-19(25)22(14-20-23)17-10-7-11-18(12-17)24-2/h4-12,14H,3,13,15H2,1-2H3/p+1