4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 4-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(4-ethoxyphenyl)benzamide CAS Name: 4-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 4-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]-N-p-phenetyl-benzamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C26H29N5O3S/c1-4-16-31-23(18-6-7-18)29-30-26(31)35-17(3)24(32)27-20-10-8-19(9-11-20)25(33)28-21-12-14-22(15-13-21)34-5-2/h4,8-15,17-18H,1,5-7,16H2,2-3H3,(H,27,32)(H,28,33)