S-(5,6-diphenyl-1,2,4-triazin-3-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(5,6-diphenyl-1,2,4-triazin-3-yl) 4-methylbenzenecarbothioate Openeye Name: S-(5,6-diphenyl-1,2,4-triazin-3-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(5,6-diphenyl-1,2,4-triazin-3-yl) ester IUPAC Name: S-(5,6-diphenyl-1,2,4-triazin-3-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(5,6-diphenyl-1,2,4-triazin-3-yl) ester Formula: C23H17N3OS MolecularWeight: 383.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3OS/c1-16-12-14-19(15-13-16)22(27)28-23-24-20(17-8-4-2-5-9-17)21(25-26-23)18-10-6-3-7-11-18/h2-15H,1H3