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

Systemtic Name: 6-chloranyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C15H14ClN5OS/c1-3-6-21-9(2)19-20-15(21)23-8-13-17-12-5-4-10(16)7-11(12)14(22)18-13/h3-5,7H,1,6,8H2,2H3,(H,17,18,22)