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

Systemtic Name: S-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate Openeye Name: S-[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate CAS Name: 10-phenothiazinecarbothioic acid S-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate Traditional Name: phenothiazine-10-carbothioic acid S-[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl] ester Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H20N4OS2/c1-3-16-28-23(18-14-12-17(2)13-15-18)26-27-24(28)32-25(30)29-19-8-4-6-10-21(19)31-22-11-7-5-9-20(22)29/h3-15H,1,16H2,2H3