(5-chloranyl-2-methoxy-phenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C19H22ClN4OS2+ MolecularWeight: 421.98718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C19H21ClN4OS2/c1-22(11-13-10-14(20)5-8-16(13)25-2)12-23-19(26)24(15-6-7-15)18(21-23)17-4-3-9-27-17/h3-5,8-10,15H,6-7,11-12H2,1-2H3/p+1