N-[(4-pentylphenyl)carbamothioyl]-1,2,4-triazine-3-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-1,2,4-triazine-3-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]-1,2,4-triazine-3-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-1,2,4-triazine-3-carboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-1,2,4-triazine-3-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-1,2,4-triazine-3-carboxamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC=CN=N2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC=CN=N2

InChI

InChI=1S/C16H19N5OS/c1-2-3-4-5-12-6-8-13(9-7-12)19-16(23)20-15(22)14-17-10-11-18-21-14/h6-11H,2-5H2,1H3,(H2,19,20,22,23)