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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methyl-ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-carbomethoxybenzyl)-methyl-ammonium Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-4-14-25-20(18-8-6-5-7-9-18)23-26(22(25)29)16-24(2)15-17-10-12-19(13-11-17)21(27)28-3/h4-13H,1,14-16H2,2-3H3/p+1