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

Systemtic Name: [3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium CAS Name: [3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: [4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium Formula: C20H22ClN4S+ MolecularWeight: 385.93348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4S/c1-3-13-24-19(17-9-11-18(21)12-10-17)22-25(20(24)26)15-23(2)14-16-7-5-4-6-8-16/h3-12H,1,13-15H2,2H3/p+1