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

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(ethylcarbamoyl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-3-22-20(28)24-19(27)14(2)29-21-23-17(15-10-6-4-7-11-15)18(25-26-21)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H2,22,24,27,28)