2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-(3-fluorophenyl)but-3-enethioamide

Systemtic Name: 2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-(3-fluorophenyl)but-3-enethioamide Openeye Name: 2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-(3-fluorophenyl)but-3-enethioamide CAS Name: 2-(1-benzotriazolyl)-2-[(2-chlorophenyl)methyl]-N-(3-fluorophenyl)-3-butenethioamide IUPAC Name: 2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-(3-fluorophenyl)but-3-enethioamide Traditional Name: 2-(benzotriazol-1-yl)-2-(2-chlorobenzyl)-N-(3-fluorophenyl)but-3-enethioamide Formula: C23H18ClFN4S MolecularWeight: 436.932223

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1=CC=CC=C1Cl)(C(=S)NC2=CC(=CC=C2)F)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C=CC(CC1=CC=CC=C1Cl)(C(=S)NC2=CC(=CC=C2)F)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H18ClFN4S/c1-2-23(15-16-8-3-4-11-19(16)24,22(30)26-18-10-7-9-17(25)14-18)29-21-13-6-5-12-20(21)27-28-29/h2-14H,1,15H2,(H,26,30)