4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(3-amino-3-oxopropyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[5-(3-amino-3-oxopropyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(3-amino-3-keto-propyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)CCC(=O)N

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)CCC(=O)N

InChI

InChI=1S/C18H19N5O3S/c19-15(24)7-8-16-21-22-18(23(16)10-14-2-1-9-26-14)27-11-12-3-5-13(6-4-12)17(20)25/h1-6,9H,7-8,10-11H2,(H2,19,24)(H2,20,25)