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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C3CC3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C3CC3

InChI

InChI=1S/C16H21ClN4OS/c1-19(9-12-8-13(17)6-7-14(12)22-3)10-21-16(23)20(2)15(18-21)11-4-5-11/h6-8,11H,4-5,9-10H2,1-3H3/p+1