2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-phenothiazin-10-yl-ethanone Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C25H20N4OS2/c30-23(29-19-10-4-6-12-21(19)32-22-13-7-5-11-20(22)29)16-31-25-27-26-24(17-14-15-17)28(25)18-8-2-1-3-9-18/h1-13,17H,14-16H2