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

Systemtic Name: methyl-[(2-methylphenyl)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-methyl-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)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-methyl-(2-methylbenzyl)ammonium Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C21H24N4S/c1-4-14-24-20(18-11-6-5-7-12-18)22-25(21(24)26)16-23(3)15-19-13-9-8-10-17(19)2/h4-13H,1,14-16H2,2-3H3/p+1