N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C18H19N5O3S/c1-23(10-16(24)19-9-15-3-2-8-26-15)17(25)14-6-4-13(5-7-14)11-27-18-20-12-21-22-18/h2-8,12H,9-11H2,1H3,(H,19,24)(H,20,21,22)