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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C15H20BrN4OS+ MolecularWeight: 384.3145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4OS/c1-4-7-19-10-17-20(15(19)22)11-18(2)9-12-8-13(16)5-6-14(12)21-3/h4-6,8,10H,1,7,9,11H2,2-3H3/p+1