2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O4S/c1-16(24(31)26-20-15-19(30(32)33)13-14-21(20)34-2)35-25-27-22(17-9-5-3-6-10-17)23(28-29-25)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,26,31)