2-[[5-(phenothiazin-10-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(phenothiazin-10-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(10-phenothiazinylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(phenothiazin-10-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H18N4O2S2/c1-2-11-23-18(21-22-20(23)27-13-19(25)26)12-24-14-7-3-5-9-16(14)28-17-10-6-4-8-15(17)24/h2-10H,1,11-13H2,(H,25,26)