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

Systemtic Name: 3-(2-methylpropylsulfanyl)-5-phenethyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-isobutylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(2-methylpropylthio)-5-phenethyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(2-methylpropylsulfanyl)-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(isobutylthio)-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1

Isomeric SMILES

CC(C)CSC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H22N4S/c1-15(2)14-26-21-22-20-19(23-24-21)17-10-6-7-11-18(17)25(20)13-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3