1-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(4-nitrobenzyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c1-2-11-22-17(25)15-5-3-4-6-16(15)23-18(22)20-21-19(23)28-12-13-7-9-14(10-8-13)24(26)27/h2-10H,1,11-12H2