3-(phenylmethylsulfanyl)pyrimido[4,5-b]indole

Systemtic Name: 3-(phenylmethylsulfanyl)pyrimido[4,5-b]indole Openeye Name: 3-benzylsulfanylpyrimido[4,5-b]indole CAS Name: 3-(phenylmethylthio)pyrimido[4,5-b]indole IUPAC Name: 3-benzylsulfanylpyrimido[4,5-b]indole Traditional Name: 3-(benzylthio)pyrimid[4,5-b]indole Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSN2C=C3C4=CC=CC=C4N=C3N=C2

Isomeric SMILES

C1=CC=C(C=C1)CSN2C=C3C4=CC=CC=C4N=C3N=C2

InChI

InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)11-21-20-10-15-14-8-4-5-9-16(14)19-17(15)18-12-20/h1-10,12H,11H2