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

Systemtic Name: 8-methyl-3-(2-methylpropylsulfanyl)-5-phenethyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-isobutylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-3-(2-methylpropylthio)-5-phenethyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-3-(2-methylpropylsulfanyl)-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(isobutylthio)-8-methyl-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(C)C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4S/c1-15(2)14-27-22-23-21-20(24-25-22)18-13-16(3)9-10-19(18)26(21)12-11-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3