6-methyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-methyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-methyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-methyl-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-methyl-4-phenylsulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-methyl-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C18H13N3S2 MolecularWeight: 335.44592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=CN=C2SC3=CC=CC=C3)SC4=CC=CC=C14

Isomeric SMILES

CC1=NC2=C(N=CN=C2SC3=CC=CC=C3)SC4=CC=CC=C14

InChI

InChI=1S/C18H13N3S2/c1-12-14-9-5-6-10-15(14)23-18-16(21-12)17(19-11-20-18)22-13-7-3-2-4-8-13/h2-11H,1H3