N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-5-chloro-naphthalene-1-carboxamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-5-chloro-1-naphthamide Formula: C17H17ClN6OS MolecularWeight: 388.87448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

InChI=1S/C17H17ClN6OS/c1-2-3-10-24-22-16(21-23-24)20-17(26)19-15(25)13-8-4-7-12-11(13)6-5-9-14(12)18/h4-9H,2-3,10H2,1H3,(H2,19,20,22,25,26)