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

Systemtic Name: 2-[(5-azanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-5-amino-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C14H13ClN6OS MolecularWeight: 348.81062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6OS/c1-2-5-21-13(16)19-20-14(21)23-7-11-17-10-4-3-8(15)6-9(10)12(22)18-11/h2-4,6H,1,5,7H2,(H2,16,19)(H,17,18,22)