N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(methoxymethyl)-1-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(methoxymethyl)-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(methoxymethyl)-1-phenyl-triazole-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(methoxymethyl)-1-phenyl-4-triazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(methoxymethyl)-1-phenyl-triazole-4-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COCC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H19N5O2S/c1-27-12-16-18(23-24-25(16)13-7-3-2-4-8-13)19(26)22-20-15(11-21)14-9-5-6-10-17(14)28-20/h2-4,7-8H,5-6,9-10,12H2,1H3,(H,22,26)