3-[4-(furan-2-ylmethyl)-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-(2-furylmethyl)-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-furanylmethyl)-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-(2-furfuryl)-5-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N

InChI

InChI=1S/C20H20N6O3S/c1-12-4-2-6-14-18(12)22-16(23-19(14)28)11-30-20-25-24-17(8-7-15(21)27)26(20)10-13-5-3-9-29-13/h2-6,9H,7-8,10-11H2,1H3,(H2,21,27)(H,22,23,28)