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

Systemtic Name: [3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropyl-azanium Openeye Name: [3-(4-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-dipropyl-ammonium CAS Name: [3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropylammonium IUPAC Name: [3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropylazanium Traditional Name: [3-(4-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-dipropyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCC[NH+](CCC)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-4-15-24(16-5-2)17-25-22(28)26(19-9-7-6-8-10-19)21(23-25)18-11-13-20(27-3)14-12-18/h6-14H,4-5,15-17H2,1-3H3/p+1