3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(propylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(propylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

InChI

InChI=1S/C13H12N4OS/c1-2-7-19-13-15-12-11(16-17-13)9-5-3-4-6-10(9)14-8-18-12/h3-6,8H,2,7H2,1H3