3-[5-(4-chlorophenyl)furan-2-yl]-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]acrylamide Formula: C31H22ClN5O2S MolecularWeight: 564.05668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H22ClN5O2S/c1-19-17-26-27(36-37(35-26)28-8-4-6-20-5-2-3-7-24(20)28)18-25(19)33-31(40)34-30(38)16-14-23-13-15-29(39-23)21-9-11-22(32)12-10-21/h2-18H,1H3,(H2,33,34,38,40)