S-(3-azanyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl) (E)-3-phenylprop-2-enethioate

Systemtic Name: S-(3-azanyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl) (E)-3-phenylprop-2-enethioate Openeye Name: S-(3-amino-4-oxo-1,2-dihydroquinazolin-2-yl) (E)-3-phenylprop-2-enethioate CAS Name: (E)-3-phenyl-2-propenethioic acid S-(3-amino-4-oxo-1,2-dihydroquinazolin-2-yl) ester IUPAC Name: S-(3-amino-4-oxo-1,2-dihydroquinazolin-2-yl) (E)-3-phenylprop-2-enethioate Traditional Name: (E)-3-phenylprop-2-enethioic acid S-(3-amino-4-keto-1,2-dihydroquinazolin-2-yl) ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)SC2NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)SC2NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C17H15N3O2S/c18-20-16(22)13-8-4-5-9-14(13)19-17(20)23-15(21)11-10-12-6-2-1-3-7-12/h1-11,17,19H,18H2/b11-10+