N-[4-[2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide CAS Name: N-[4-[2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]propanoyl]phenyl]butyramide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C(C)C

InChI

InChI=1S/C21H28N4O2S/c1-5-6-18(26)22-16-9-7-15(8-10-16)19(27)14(4)28-21-24-23-20(13(2)3)25(21)17-11-12-17/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,22,26)