N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=NN=C1SCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-26-14-23-25-21(26)29-12-11-22-20(27)16-8-9-18-17(13-16)24-19(28-18)10-7-15-5-3-2-4-6-15/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,22,27)