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

Systemtic Name: [3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C19H23N4OS2+ MolecularWeight: 387.54212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4OS2/c1-4-10-22-18(16-7-5-6-8-17(16)24-3)20-23(19(22)25)14-21(2)12-15-9-11-26-13-15/h4-9,11,13H,1,10,12,14H2,2-3H3/p+1