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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

InChI

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