5-phenethyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-phenethyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-isopropylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-phenethyl-3-(propan-2-ylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-phenethyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(isopropylthio)-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1

Isomeric SMILES

CC(C)SC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1

InChI

InChI=1S/C20H20N4S/c1-14(2)25-20-21-19-18(22-23-20)16-10-6-7-11-17(16)24(19)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3