3-[[4-azanyl-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-azanyl-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-5-(3,4-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C19H19N4O2S- MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C19H20N4O2S/c1-12-6-7-14(8-13(12)2)10-17-21-22-19(23(17)20)26-11-15-4-3-5-16(9-15)18(24)25/h3-9H,10-11,20H2,1-2H3,(H,24,25)/p-1