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

Systemtic Name: N-(4-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-(4-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-(4-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(4-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-(4-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(=CC=C1C(=S)N)NC(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)NC(=O)CCCN2C=NC=N2

InChI

InChI=1S/C13H15N5OS/c14-13(20)10-3-5-11(6-4-10)17-12(19)2-1-7-18-9-15-8-16-18/h3-6,8-9H,1-2,7H2,(H2,14,20)(H,17,19)