4-[[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile CAS Name: 4-[[5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile IUPAC Name: 4-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Traditional Name: 4-[[5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Formula: C30H21N5O2S2 MolecularWeight: 547.65004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)COC6=CC=C(C=C6)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)COC6=CC=C(C=C6)C#N

InChI

InChI=1S/C30H21N5O2S2/c31-18-21-14-16-23(17-15-21)37-19-28-32-33-30(34(28)22-8-2-1-3-9-22)38-20-29(36)35-24-10-4-6-12-26(24)39-27-13-7-5-11-25(27)35/h1-17H,19-20H2