3-[(2,4-dimethylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-[(2,4-dimethylphenyl)methylthio]-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-[(2,4-dimethylbenzyl)thio]-5H-[1,2,4]triazin[5,6-b]indole Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C

InChI

InChI=1S/C18H16N4S/c1-11-7-8-13(12(2)9-11)10-23-18-20-17-16(21-22-18)14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H,19,20,22)