4-chloranyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: 4-chloro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide CAS Name: 4-chloro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: 4-chloro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CCCCl

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C17H16ClN5OS/c18-10-4-7-16(24)20-17(25)19-12-8-9-14-15(11-12)22-23(21-14)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H2,19,20,24,25)