N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl]butanamide

Systemtic Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl]butanamide Openeye Name: N-[4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-phenyl]butanamide CAS Name: N-[4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylphenyl]butanamide IUPAC Name: N-[4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylphenyl]butanamide Traditional Name: N-[4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-phenyl]butyramide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C

InChI

InChI=1S/C21H25N5O2S2/c1-4-7-18(27)22-15-9-10-16(14(3)12-15)23-19(28)13-30-21-25-24-20(26(21)5-2)17-8-6-11-29-17/h6,8-12H,4-5,7,13H2,1-3H3,(H,22,27)(H,23,28)