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

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C

InChI

InChI=1S/C18H22N4O2S/c1-3-4-17(24)19-14-7-5-13(6-8-14)16(23)11-25-18-21-20-12(2)22(18)15-9-10-15/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,24)