6-[4-azanyl-6-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-azanyl-6-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-amino-6-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-amino-6-[(1,3-benzoxazol-2-ylthio)methyl]-1H-1,3,5-triazin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-amino-6-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-amino-6-[(1,3-benzoxazol-2-ylthio)methyl]-1H-s-triazin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H13N5O2S MolecularWeight: 351.38242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=NC(=NC(=C4C=CC=CC4=O)N3)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=NC(=NC(=C4C=CC=CC4=O)N3)N

InChI

InChI=1S/C17H13N5O2S/c18-16-21-14(20-15(22-16)10-5-1-3-7-12(10)23)9-25-17-19-11-6-2-4-8-13(11)24-17/h1-8H,9H2,(H3,18,20,21,22)