3-[8-chloranyl-2-methoxy-3-(oxan-2-yloxy)phenothiazin-10-yl]propanenitrile

Systemtic Name: 3-[8-chloranyl-2-methoxy-3-(oxan-2-yloxy)phenothiazin-10-yl]propanenitrile Openeye Name: 3-(8-chloro-2-methoxy-3-tetrahydropyran-2-yloxy-phenothiazin-10-yl)propanenitrile CAS Name: 3-[8-chloro-2-methoxy-3-(2-oxanyloxy)-10-phenothiazinyl]propanenitrile IUPAC Name: 3-[8-chloro-2-methoxy-3-(oxan-2-yloxy)phenothiazin-10-yl]propanenitrile Traditional Name: 3-(8-chloro-2-methoxy-3-tetrahydropyran-2-yloxy-phenothiazin-10-yl)propionitrile Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCC#N)OC4CCCCO4

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCC#N)OC4CCCCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-25-17-12-16-20(13-18(17)27-21-5-2-3-10-26-21)28-19-7-6-14(22)11-15(19)24(16)9-4-8-23/h6-7,11-13,21H,2-5,9-10H2,1H3