N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

InChI

InChI=1S/C18H21N5O3S/c1-18(2,3)22-14(24)8-19-16(25)15-12(9-27-17-20-10-21-23-17)11-6-4-5-7-13(11)26-15/h4-7,10H,8-9H2,1-3H3,(H,19,25)(H,22,24)(H,20,21,23)