3-[(5-chloranyl-3aH-indol-2-yl)methylsulfanyl]-2,4a-dihydro-1,2,4-benzotriazine

Systemtic Name: 3-[(5-chloranyl-3aH-indol-2-yl)methylsulfanyl]-2,4a-dihydro-1,2,4-benzotriazine Openeye Name: 3-[(5-chloro-3aH-indol-2-yl)methylsulfanyl]-2,4a-dihydro-1,2,4-benzotriazine CAS Name: 3-[(5-chloro-3aH-indol-2-yl)methylthio]-2,4a-dihydro-1,2,4-benzotriazine IUPAC Name: 3-[(5-chloro-3aH-indol-2-yl)methylsulfanyl]-2,4a-dihydro-1,2,4-benzotriazine Traditional Name: 3-[(5-chloro-3aH-indol-2-yl)methylthio]-2,4a-dihydro-1,2,4-benzotriazine Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NNC(=N2)SCC3=CC4C=C(C=CC4=N3)Cl)C=C1

Isomeric SMILES

C1=CC2C(=NNC(=N2)SCC3=CC4C=C(C=CC4=N3)Cl)C=C1

InChI

InChI=1S/C16H13ClN4S/c17-11-5-6-13-10(7-11)8-12(18-13)9-22-16-19-14-3-1-2-4-15(14)20-21-16/h1-8,10,14H,9H2,(H,19,21)