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

Systemtic Name: 5-butyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-benzylsulfanyl-5-butyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-3-(phenylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-benzylsulfanyl-5-butyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzylthio)-5-butyl-[1,2,4]triazin[5,6-b]indole Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4S/c1-2-3-13-24-17-12-8-7-11-16(17)18-19(24)21-20(23-22-18)25-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3