2-[5-(3,4-diethoxyphenyl)-1,2,3,4-tetrazol-2-yl]-1-phenothiazin-10-yl-propan-1-one

Systemtic Name: 2-[5-(3,4-diethoxyphenyl)-1,2,3,4-tetrazol-2-yl]-1-phenothiazin-10-yl-propan-1-one Openeye Name: 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-1-phenothiazin-10-yl-propan-1-one CAS Name: 2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-1-phenothiazin-10-ylpropan-1-one Traditional Name: 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-1-phenothiazin-10-yl-propan-1-one Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(N=N2)C(C)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(N=N2)C(C)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OCC

InChI

InChI=1S/C26H25N5O3S/c1-4-33-21-15-14-18(16-22(21)34-5-2)25-27-29-31(28-25)17(3)26(32)30-19-10-6-8-12-23(19)35-24-13-9-7-11-20(24)30/h6-17H,4-5H2,1-3H3