2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C18H18N6O2S2/c1-10(16(26)21-17-13(14(19)25)6-8-27-17)28-18-23-22-15(24(18)12-4-5-12)11-3-2-7-20-9-11/h2-3,6-10,12H,4-5H2,1H3,(H2,19,25)(H,21,26)