5-butyl-8-methyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-butyl-8-methyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-benzylsulfanyl-5-butyl-8-methyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-8-methyl-3-(phenylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-benzylsulfanyl-5-butyl-8-methyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzylthio)-5-butyl-8-methyl-[1,2,4]triazin[5,6-b]indole Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4S/c1-3-4-12-25-18-11-10-15(2)13-17(18)19-20(25)22-21(24-23-19)26-14-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3