2-[2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-phenyl-benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3N)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3N)C4=CC=CO4

InChI

InChI=1S/C21H18N6O3S/c22-27-19(17-11-6-12-30-17)25-26-21(27)31-13-18(28)24-16-10-5-4-9-15(16)20(29)23-14-7-2-1-3-8-14/h1-12H,13,22H2,(H,23,29)(H,24,28)