3-[(4-chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-chlorophenyl)methyl]-4-[(E)-2-thienylmethyleneamino]-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one Traditional Name: 3-(4-chlorobenzyl)-4-[(E)-2-thenylideneamino]-1H-1,2,4-triazol-5-one Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)/C=N/N2C(=NNC2=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN4OS/c15-11-5-3-10(4-6-11)8-13-17-18-14(20)19(13)16-9-12-2-1-7-21-12/h1-7,9H,8H2,(H,18,20)/b16-9+