N-(3-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(3-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-(3-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-(3-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(3-carbamothioylphenyl)-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-(3-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(=C1)NC(=O)CCCN2C=NC=N2)C(=S)N

Isomeric SMILES

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

InChI

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