propan-2-yl 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1CC=C)C2=NC=CN=C2

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CC=C)C2=NC=CN=C2

InChI

InChI=1S/C14H17N5O2S/c1-4-7-19-13(11-8-15-5-6-16-11)17-18-14(19)22-9-12(20)21-10(2)3/h4-6,8,10H,1,7,9H2,2-3H3