4-[2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H22N6O3S/c1-12(2)29-16-5-3-4-14(10-16)19-24-25-20(26(19)22)30-11-17(27)23-15-8-6-13(7-9-15)18(21)28/h3-10,12H,11,22H2,1-2H3,(H2,21,28)(H,23,27)