N-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3-chlorobenzothiophen-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)triazole-4-carboxamide CAS Name: N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: N-[(3-chlorobenzothiophen-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)triazole-4-carboxamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C2=CC=CC=C2S1)Cl)C(=O)C3=CN(N=N3)CCCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=C(C2=CC=CC=C2S1)Cl)C(=O)C3=CN(N=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4OS/c1-26(15-20-21(23)17-11-5-6-12-19(17)29-20)22(28)18-14-27(25-24-18)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3