3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-8-ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-8-ethoxy-5-methyl-[1,2,4]triazin[5,6-b]indole Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C20H18N6OS/c1-3-27-12-8-9-16-13(10-12)18-19(26(16)2)23-20(25-24-18)28-11-17-21-14-6-4-5-7-15(14)22-17/h4-10H,3,11H2,1-2H3,(H,21,22)