S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) 3-methylbenzenecarbothioate

Systemtic Name: S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) 3-methylbenzenecarbothioate Openeye Name: S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic acid S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) ester IUPAC Name: S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) 3-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid S-(5H-[1,2,4]triazin[5,6-b]indol-3-yl) ester Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C17H12N4OS/c1-10-5-4-6-11(9-10)16(22)23-17-19-15-14(20-21-17)12-7-2-3-8-13(12)18-15/h2-9H,1H3,(H,18,19,21)