5-butyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-butyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-butyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-3-(phenethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-butyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-butyl-3-(phenethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4S/c1-2-3-14-25-18-12-8-7-11-17(18)19-20(25)22-21(24-23-19)26-15-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3