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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-chloro-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C20H23ClN5OS+ MolecularWeight: 416.94752

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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=CN=CC=C3)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-4-10-25-19(15-6-5-9-22-12-15)23-26(20(25)28)14-24(2)13-16-11-17(21)7-8-18(16)27-3/h4-9,11-12H,1,10,13-14H2,2-3H3/p+1