2-[(4-azanyl-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[(4-azanyl-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[(4-amino-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[(4-amino-5-pentyl-1,2,4-triazol-3-yl)thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[(4-amino-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[(4-amino-5-amyl-1,2,4-triazol-3-yl)thio]-1-phenothiazin-10-yl-ethanone Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(N1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCCCC1=NN=C(N1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H23N5OS2/c1-2-3-4-13-19-23-24-21(26(19)22)28-14-20(27)25-15-9-5-7-11-17(15)29-18-12-8-6-10-16(18)25/h5-12H,2-4,13-14,22H2,1H3