3-(2-methylpropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-(2-methylpropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-isobutylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(2-methylpropylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(2-methylpropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(isobutylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CC(C)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C13H14N4S/c1-8(2)7-18-13-15-12-11(16-17-13)9-5-3-4-6-10(9)14-12/h3-6,8H,7H2,1-2H3,(H,14,15,17)