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

Systemtic Name: 8-methyl-5-phenethyl-3-propylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methyl-5-phenethyl-3-propylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-5-phenethyl-3-(propylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-5-phenethyl-3-propylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methyl-5-phenethyl-3-(propylthio)-[1,2,4]triazin[5,6-b]indole Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

InChI

InChI=1S/C21H22N4S/c1-3-13-26-21-22-20-19(23-24-21)17-14-15(2)9-10-18(17)25(20)12-11-16-7-5-4-6-8-16/h4-10,14H,3,11-13H2,1-2H3