methyl N-[1-(azepan-1-yl)-5-methyl-2-thiophen-2-yl-3H-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamate

Systemtic Name: methyl N-[1-(azepan-1-yl)-5-methyl-2-thiophen-2-yl-3H-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamate Openeye Name: methyl N-[1-(azepan-1-yl)-5-methyl-2-(2-thienyl)-3H-1,2,4-triazol-3-yl]-N-benzyl-carbamate CAS Name: N-[1-(1-azepanyl)-5-methyl-2-thiophen-2-yl-3H-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamic acid methyl ester IUPAC Name: methyl N-[1-(azepan-1-yl)-5-methyl-2-thiophen-2-yl-3H-1,2,4-triazol-3-yl]-N-benzylcarbamate Traditional Name: N-[1-(azepan-1-yl)-5-methyl-2-(2-thienyl)-3H-1,2,4-triazol-3-yl]-N-benzyl-carbamic acid methyl ester Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N(N1N2CCCCCC2)C3=CC=CS3)N(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=NC(N(N1N2CCCCCC2)C3=CC=CS3)N(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H29N5O2S/c1-18-23-21(25(22(28)29-2)17-19-11-6-5-7-12-19)26(20-13-10-16-30-20)27(18)24-14-8-3-4-9-15-24/h5-7,10-13,16,21H,3-4,8-9,14-15,17H2,1-2H3