S-[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate

Systemtic Name: S-[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate Openeye Name: S-[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate CAS Name: 10-phenothiazinecarbothioic acid S-[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate Traditional Name: phenothiazine-10-carbothioic acid S-[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl] ester Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H20N4O2S2/c1-3-16-28-23(17-10-4-7-13-20(17)31-2)26-27-24(28)33-25(30)29-18-11-5-8-14-21(18)32-22-15-9-6-12-19(22)29/h3-15H,1,16H2,2H3