3-(phenylmethyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(phenylmethyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-benzyl-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-(phenylmethyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-benzyl-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-benzyl-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S

InChI

InChI=1S/C17H13N3OS/c21-16-15-14(12-8-4-5-9-13(12)18-15)19-17(22)20(16)10-11-6-2-1-3-7-11/h1-9,18H,10H2,(H,19,22)