1-phenothiazin-10-yl-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-phenothiazin-10-yl-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 1-(10-phenothiazinyl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C23H18N4OS3 MolecularWeight: 462.61022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C23H18N4OS3/c28-21(15-29-23-26-25-22(31-23)24-14-16-8-2-1-3-9-16)27-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)27/h1-13H,14-15H2,(H,24,25)