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

Systemtic Name: (5,6-diphenyl-1,2,4-triazin-3-yl)methanethiol Openeye Name: (5,6-diphenyl-1,2,4-triazin-3-yl)methanethiol CAS Name: (5,6-diphenyl-1,2,4-triazin-3-yl)methanethiol IUPAC Name: (5,6-diphenyl-1,2,4-triazin-3-yl)methanethiol Traditional Name: (5,6-diphenyl-1,2,4-triazin-3-yl)methanethiol Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)CS)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)CS)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3S/c20-11-14-17-15(12-7-3-1-4-8-12)16(19-18-14)13-9-5-2-6-10-13/h1-10,20H,11H2