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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-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-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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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=CC=C3)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c1-4-12-25-20(16-8-6-5-7-9-16)23-26(21(25)28)15-24(2)14-17-13-18(22)10-11-19(17)27-3/h4-11,13H,1,12,14-15H2,2-3H3/p+1