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

Systemtic Name: [3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium CAS Name: [3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: [4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)CC=C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)CC=C

InChI

InChI=1S/C21H24N4OS/c1-4-14-24-20(18-12-8-9-13-19(18)26-3)22-25(21(24)27)16-23(2)15-17-10-6-5-7-11-17/h4-13H,1,14-16H2,2-3H3/p+1