N-(2-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(2-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-(2-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-(2-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(2-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-(2-thiocarbamoylphenyl)-4-(1,2,4-triazol-1-yl)butyramide Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=S)N)NC(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=S)N)NC(=O)CCCN2C=NC=N2

InChI

InChI=1S/C13H15N5OS/c14-13(20)10-4-1-2-5-11(10)17-12(19)6-3-7-18-9-15-8-16-18/h1-2,4-5,8-9H,3,6-7H2,(H2,14,20)(H,17,19)