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

Systemtic Name: 5-butyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-butyl-3-isobutylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-3-(2-methylpropylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-butyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-butyl-3-(isobutylthio)-[1,2,4]triazin[5,6-b]indole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(C)C

InChI

InChI=1S/C17H22N4S/c1-4-5-10-21-14-9-7-6-8-13(14)15-16(21)18-17(20-19-15)22-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3