3-[2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H24N6O3S/c21-16(27)8-9-26-18(12-4-5-12)24-25-20(26)30-11-17(28)22-15-3-1-2-13(10-15)19(29)23-14-6-7-14/h1-3,10,12,14H,4-9,11H2,(H2,21,27)(H,22,28)(H,23,29)