5-(4-chlorophenyl)-N-prop-2-enyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-prop-2-enyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-allyl-5-(4-chlorophenyl)-3-(2-thienyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-prop-2-enyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-prop-2-enyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-allyl-3-(4-chlorophenyl)-5-(2-thienyl)-2-pyrazoline-1-carbothioamide Formula: C17H16ClN3S2 MolecularWeight: 361.91204

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

C=CCNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C17H16ClN3S2/c1-2-9-19-17(22)21-15(16-4-3-10-23-16)11-14(20-21)12-5-7-13(18)8-6-12/h2-8,10,15H,1,9,11H2,(H,19,22)