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

Systemtic Name: 4-[2-[[4-azanyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H18N6O3S/c1-27-14-4-2-3-12(9-14)17-22-23-18(24(17)20)28-10-15(25)21-13-7-5-11(6-8-13)16(19)26/h2-9H,10,20H2,1H3,(H2,19,26)(H,21,25)