2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]butanamide

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]butyramide Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=NN=C3SCC)N

InChI

InChI=1S/C20H22N6O2S2/c1-4-16(26-19(22)24-25-20(26)29-5-2)17(27)23-18-14(10-21)15(11-30-18)12-6-8-13(28-3)9-7-12/h6-9,11,16H,4-5H2,1-3H3,(H2,22,24)(H,23,27)