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

Systemtic Name: 2-[2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)CCC(=O)N

InChI

InChI=1S/C18H22N6O3S/c1-24-15(9-8-14(19)25)22-23-18(24)28-10-16(26)21-13-5-3-2-4-12(13)17(27)20-11-6-7-11/h2-5,11H,6-10H2,1H3,(H2,19,25)(H,20,27)(H,21,26)