2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[bis(fluoranyl)methoxy]phenyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[bis(fluoranyl)methoxy]phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide CAS Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-(difluoromethoxy)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-[4-(difluoromethoxy)phenyl]acetamide Formula: C18H17F2N5O2S MolecularWeight: 405.421686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C18H17F2N5O2S/c1-11-3-2-4-12(9-11)16-23-24-18(25(16)21)28-10-15(26)22-13-5-7-14(8-6-13)27-17(19)20/h2-9,17H,10,21H2,1H3,(H,22,26)