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

Systemtic Name: 6-chloranyl-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C18H14ClN5O2S/c1-2-7-24-16(14-4-3-8-26-14)22-23-18(24)27-10-15-20-13-6-5-11(19)9-12(13)17(25)21-15/h2-6,8-9H,1,7,10H2,(H,20,21,25)