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

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C18H23N5O2S/c1-2-14(17(25)20-12-6-4-3-5-7-12)26-18-22-21-16(11-10-15(19)24)23(18)13-8-9-13/h3-7,13-14H,2,8-11H2,1H3,(H2,19,24)(H,20,25)