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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C)N=N1

InChI

InChI=1S/C21H22N4S/c1-3-4-12-26-21-22-20-19(23-24-21)17-13-15(2)10-11-18(17)25(20)14-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3