(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-[5-(4-chlorophenyl)-2-furyl]-N-[(2-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-[5-(4-chlorophenyl)-2-furanyl]-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-[5-(4-chlorophenyl)-2-furyl]-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]acrylamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6O2S/c1-2-11-25-23-17(22-24-25)21-18(28)20-16(26)10-8-14-7-9-15(27-14)12-3-5-13(19)6-4-12/h3-10H,2,11H2,1H3,(H2,20,21,23,26,28)/b10-8+