2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H24N6O2S2/c1-11-13(3)30-18(15(11)16(21)27)23-17(28)12(2)26-19(22)24-25-20(26)29-10-9-14-7-5-4-6-8-14/h4-8,12H,9-10H2,1-3H3,(H2,21,27)(H2,22,24)(H,23,28)