6-chloranyl-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C21H18ClN5OS/c22-15-8-9-17-16(10-15)20(28)24-18(23-17)12-29-21-26-25-19(14-6-7-14)27(21)11-13-4-2-1-3-5-13/h1-5,8-10,14H,6-7,11-12H2,(H,23,24,28)