4-[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C21H19N4O3S- MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-3-12-25-19(17-7-5-4-6-14(17)2)23-24-21(25)29-13-18(26)22-16-10-8-15(9-11-16)20(27)28/h3-11H,1,12-13H2,2H3,(H,22,26)(H,27,28)/p-1