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

Systemtic Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-16(2)22(13-17-8-5-4-6-9-17)15-24-20(26)23(14-21-24)18-10-7-11-19(12-18)25-3/h4-12,14,16H,13,15H2,1-3H3/p+1