N-(3-tert-butyl-1,2-oxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C17H19N5O2S/c1-17(2,3)13-8-14(24-22-13)20-15(23)12-6-4-11(5-7-12)9-25-16-18-10-19-21-16/h4-8,10H,9H2,1-3H3,(H,20,23)(H,18,19,21)