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

Systemtic Name: 3-[3-cyclopropyl-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-4-yl]propionamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CCC(=O)N)C4CC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CCC(=O)N)C4CC4

InChI

InChI=1S/C18H20N6O2S/c1-10-3-2-4-12-15(10)20-14(21-17(12)26)9-27-18-23-22-16(11-5-6-11)24(18)8-7-13(19)25/h2-4,11H,5-9H2,1H3,(H2,19,25)(H,20,21,26)