N-(2,4-dimethylphenyl)-2-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C29H27N5O2S2 MolecularWeight: 541.68698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C29H27N5O2S2/c1-4-15-33-26(17-27(35)30-21-14-13-19(2)16-20(21)3)31-32-29(33)37-18-28(36)34-22-9-5-7-11-24(22)38-25-12-8-6-10-23(25)34/h4-14,16H,1,15,17-18H2,2-3H3,(H,30,35)