7-chloranyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H16ClN5OS/c1-2-10-26-18(13-6-4-3-5-7-13)24-25-20(26)28-12-17-22-16-11-14(21)8-9-15(16)19(27)23-17/h2-9,11H,1,10,12H2,(H,22,23,27)